Identiteet

78EC7RJ4C2

Pole loetletud · C25H31F3O6

01Identiteet

Lazychem IDLC-33509
CAS RNPole loetletud
PubChem CID162623501
Molecular formulaC25H31F3O6
Molecular weight484.5 g/mol
IUPAC namefluoromethyl (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate
InChIKeyZJOOJHDTIMPNCY-CENSZEJFSA-N

02Struktuur ja stereokeemia

2D structurePubChem CID 162623501
Two-dimensional chemical structure of 78EC7RJ4C2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 9 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres9
Ring count4
Secondary amines0
Tertiary amines0
SMILESCCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)OCF
InChIPole loetletud

03Stereochemistry

The published structure contains 9 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres9Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 512Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Staatus Indias

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nimed ja seosed

API ja lähteravim

Pole loetletud

Nimed ja seosed

    Lisandid ja seotud ühendid

      06Allikad